5-cyclopropyl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide

C16H18N4O3 — CID 6867422

IUPAC5-cyclopropyl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc(C3CC3)[nH]n2)cc1OC
InChIInChI=1S/C16H18N4O3/c1-22-14-6-3-10(7-15(14)23-2)9-17-20-16(21)13-8-12(18-19-13)11-4-5-11/h3,6-9,11H,4-5H2,1-2H3,(H,18,19)(H,20,21)/b17-9+
InChIKeyWTSYWHCZEGLDEK-RQZCQDPDSA-N
MW314.35 g/mol
LogP2.07
Rot. Bonds6

About 5-cyclopropyl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 6867422) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID6867422
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name5-cyclopropyl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc(C3CC3)[nH]n2)cc1OC
InChIInChI=1S/C16H18N4O3/c1-22-14-6-3-10(7-15(14)23-2)9-17-20-16(21)13-8-12(18-19-13)11-4-5-11/h3,6-9,11H,4-5H2,1-2H3,(H,18,19)(H,20,21)/b17-9+
InChIKeyWTSYWHCZEGLDEK-RQZCQDPDSA-N
XLogP2.07
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760842
5-cyclopropyl-N-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760813
5-cyclopropyl-N-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760855
5-cyclopropyl-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 5402389
N-[(4-chlorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 760857
5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 5412764
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6862386
5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 46642727
5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 940139
5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760814
1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5355980
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
CID 135521451

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide (CID 6867422) is 5-cyclopropyl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is COc1ccc(/C=N/NC(=O)c2cc(C3CC3)[nH]n2)cc1OC.
What is the InChIKey of 5-cyclopropyl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is WTSYWHCZEGLDEK-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-22-14-6-3-10(7-15(14)23-2)9-17-20-16(21)13-8-12(18-19-13)11-4-5-11/h3,6-9,11H,4-5H2,1-2H3,(H,18,19)(H,20,21)/b17-9+.
What are the key properties of 5-cyclopropyl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6867422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).